SCHEMBL938944

SCHEMBL938944

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5cscc5[nH]4)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
AURKB Q96GD4 4/20 0.35
AURKA O14965 3/20 0.35
RET P07949 1/20 0.34
TBK1 Q9UHD2 1/20 0.31
ULK1 O75385 7/20 0.31
RIPK1 Q13546 3/20 0.31
IKBKB O14920 1/20 0.31
PDPK1 O15530 1/20 0.31
EGFR P00533 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
PIM1 P11309 1/20 0.31
MARK3 P27448 1/20 0.31
MAPK1 P28482 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL940206 0.89 MEN1 (0.40) FGFR1AURKBAURKARETPIM1
SCHEMBL940889 0.89 FGFR1 (0.36) FGFR1RETTBK1ULK1RIPK1
SCHEMBL940006 0.88 HDAC11 (0.39) FGFR1AURKBAURKARETTBK1
SCHEMBL941048 0.87 FGFR1 (0.39) FGFR1AURKBAURKARETTBK1
SCHEMBL939309 0.87 AURKB (0.38) FGFR1AURKBAURKARETTBK1
SCHEMBL940266 0.87 PTGES (0.38) FGFR1AURKBAURKARETTBK1
SCHEMBL940095 0.87 AURKB (0.40) FGFR1AURKBAURKARETTBK1
SCHEMBL939356 0.87 POLB (0.43) FGFR1AURKBAURKARETTBK1
SCHEMBL940272 0.87 MEN1 (0.43) FGFR1AURKBAURKARETTBK1
SCHEMBL938367 0.86 FGFR1 (0.36) FGFR1AURKBAURKARETULK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP claimed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US claimed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885AURKB 4/4885AURKA 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.